3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole

C18H27N5O2 — CID 46986407

IUPAC3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESC=CCn1cc(CN2CCCCC2c2nc(CCOC)no2)c(C)n1
InChIInChI=1S/C18H27N5O2/c1-4-9-23-13-15(14(2)20-23)12-22-10-6-5-7-16(22)18-19-17(21-25-18)8-11-24-3/h4,13,16H,1,5-12H2,2-3H3
InChIKeyUIMAKDVOYKRZCX-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.68
Rot. Bonds8

About 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 46986407) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID46986407
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESC=CCn1cc(CN2CCCCC2c2nc(CCOC)no2)c(C)n1
InChIInChI=1S/C18H27N5O2/c1-4-9-23-13-15(14(2)20-23)12-22-10-6-5-7-16(22)18-19-17(21-25-18)8-11-24-3/h4,13,16H,1,5-12H2,2-3H3
InChIKeyUIMAKDVOYKRZCX-UHFFFAOYSA-N
XLogP2.68
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 131897141
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole (CID 46986407) is 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole is C=CCn1cc(CN2CCCCC2c2nc(CCOC)no2)c(C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is UIMAKDVOYKRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-9-23-13-15(14(2)20-23)12-22-10-6-5-7-16(22)18-19-17(21-25-18)8-11-24-3/h4,13,16H,1,5-12H2,2-3H3.
What are the key properties of 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 345.45 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 46986407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).